CID 3060755

78239-29-9

Structural Information

Molecular Formula
C18H18ClNO
SMILES
C1CC2=CC=CC=C2C1CCNC(=O)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C18H18ClNO/c19-16-6-3-5-15(12-16)18(21)20-11-10-14-9-8-13-4-1-2-7-17(13)14/h1-7,12,14H,8-11H2,(H,20,21)
InChIKey
AEIVQVNPRJYLJT-UHFFFAOYSA-N
Compound name
3-chloro-N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.1077 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.11498 171.1
[M+Na]+ 322.09692 178.1
[M-H]- 298.10042 178.1
[M+NH4]+ 317.14152 189.5
[M+K]+ 338.07086 171.3
[M+H-H2O]+ 282.10496 164.2
[M+HCOO]- 344.10590 189.0
[M+CH3COO]- 358.12155 182.4
[M+Na-2H]- 320.08237 173.5
[M]+ 299.10715 172.0
[M]- 299.10825 172.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.